Information card for entry 7714025

Structure parameters

• Formula: C83 H121 B2 Fe Li2 N10
• Calculated formula: C83 H121 B2 Fe Li2 N10
• Title of publication: A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents
• Authors of publication: Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.5366 ± 0.0007 Å
• b: 16.4231 ± 0.0009 Å
• c: 19.0854 ± 0.001 Å
• α: 94.408 ± 0.004°
• β: 108.594 ± 0.004°
• γ: 96.918 ± 0.004°
• Cell volume: 3962.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No